%chk=000251613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251613

0 1
O -2.350865 1.447458 -0.950255
O 2.467128 1.327906 -0.715578
O -0.243518 -0.835530 -0.031481
O 0.122171 3.717207 -1.217944
O -0.086340 3.101729 0.847608
O -3.158712 -0.628232 -1.355998
O 3.302850 -0.644582 -1.431759
O 1.516312 -1.658549 1.124791
N 0.030610 2.881081 -0.340114
C 0.062032 1.400727 -0.795587
C -1.156627 1.156419 -1.714848
C 1.348056 1.181819 -1.620948
C 0.017308 0.500677 0.458262
C -3.289894 0.431275 -0.788683
C 3.407347 0.293520 -0.678430
C 0.596084 -1.870706 0.371973
C -4.375596 0.891855 0.100752
C 4.434645 0.587760 0.339489
C 0.142224 -3.132726 -0.247590
C -5.486429 0.048476 0.276970
C 5.333950 -0.436562 0.681786
C 0.976105 -4.258842 -0.138862
C -4.311626 2.128698 0.761350
C 4.520231 1.845029 0.957916
C -1.084171 -3.217692 -0.925448
C -6.529670 0.447328 1.113668
C 6.320036 -0.196015 1.640429
C 0.578633 -5.468418 -0.710566
C -5.360457 2.519423 1.597070
C 5.510975 2.076664 1.914410
C -1.473292 -4.433245 -1.493153
C -6.466587 1.681052 1.772679
C 6.408376 1.058256 2.255042
C -0.644387 -5.555045 -1.386595
H -1.192964 1.867036 -2.563144
H -1.172190 0.101781 -2.072131
H 1.494617 1.969390 -2.387056
H 1.357729 0.173999 -2.091178
H -0.843829 0.745481 1.110014
H 0.964600 0.541236 1.036158
H -5.523588 -0.913135 -0.241657
H 5.252022 -1.413320 0.197517
H 1.928629 -4.177864 0.391061
H -3.443240 2.778758 0.618284
H 3.811469 2.632840 0.688759
H -1.731190 -2.333157 -1.007161
H -7.392868 -0.202426 1.254011
H 7.018385 -0.986970 1.911137
H 1.221207 -6.344075 -0.630995
H -5.314368 3.478773 2.112332
H 5.581707 3.050700 2.397324
H -2.424409 -4.503105 -2.020186
H -7.283570 1.989398 2.426309
H 7.179150 1.242315 3.004192
H -0.951396 -6.501568 -1.832247


%chk=000251613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251613

0 1
O -2.361266 1.599207 -0.813971
O 2.523734 1.329546 -0.602661
O -0.349515 -0.826010 0.051729
O 0.269455 3.827657 -1.055136
O 0.218713 3.129152 1.111971
O -3.249087 -0.435936 -1.555323
O 3.487955 -0.590348 -1.521492
O 1.498904 -1.726904 1.168644
N 0.198041 2.917201 -0.151941
C 0.088494 1.439518 -0.655713
C -1.134700 1.358988 -1.594293
C 1.358204 1.150916 -1.482337
C -0.037921 0.520034 0.576501
C -3.363644 0.603902 -0.864133
C 3.550108 0.356500 -0.704689
C 0.497542 -1.892827 0.434939
C -4.530853 0.961925 -0.015103
C 4.655879 0.628287 0.248819
C 0.030888 -3.181646 -0.142147
C -5.614537 0.045857 0.043573
C 5.744404 -0.282805 0.278856
C 0.814547 -4.339110 0.108564
C -4.583566 2.173584 0.723767
C 4.646539 1.754130 1.113693
C -1.156061 -3.275698 -0.917914
C -6.741308 0.338819 0.837250
C 6.815766 -0.069058 1.168694
C 0.415000 -5.585370 -0.413391
C -5.714765 2.461213 1.515404
C 5.722549 1.963109 2.000896
C -1.548694 -4.528039 -1.435781
C -6.793289 1.546523 1.574448
C 6.806780 1.053935 2.030904
C -0.767566 -5.681657 -1.186262
H -1.074514 2.149914 -2.359971
H -1.183478 0.358652 -2.057417
H 1.442066 1.867397 -2.317394
H 1.335161 0.116786 -1.870089
H -0.881134 0.829161 1.211220
H 0.893316 0.497241 1.164311
H -5.552523 -0.881446 -0.535287
H 5.727078 -1.145739 -0.394809
H 1.725385 -4.237885 0.707782
H -3.746128 2.874238 0.669813
H 3.803834 2.449994 1.084471
H -1.759790 -2.382471 -1.105459
H -7.576201 -0.368327 0.883091
H 7.654106 -0.773278 1.193670
H 1.019984 -6.477977 -0.221770
H -5.756546 3.395068 2.085784
H 5.716187 2.830777 2.669051
H -2.462998 -4.603641 -2.033960
H -7.669833 1.773476 2.191484
H 7.640170 1.218905 2.723023
H -1.078064 -6.651132 -1.592208


